N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)furan-2-carboxamide

C17H12N4O2 — CID 1084671

IUPACN-(2-pyridin-3-yl-3H-benzimidazol-5-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2nc(-c3cccnc3)[nH]c2c1)c1ccco1
InChIInChI=1S/C17H12N4O2/c22-17(15-4-2-8-23-15)19-12-5-6-13-14(9-12)21-16(20-13)11-3-1-7-18-10-11/h1-10H,(H,19,22)(H,20,21)
InChIKeyJDZNTGMSMHYYCY-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.47
Rot. Bonds3

About N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)furan-2-carboxamide

N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)furan-2-carboxamide (PubChem CID 1084671) has the molecular formula C17H12N4O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-pyridin-3-yl-3H-benzimidazol-5-yl)furan-2-carboxamide
PubChem CID1084671
Molecular FormulaC17H12N4O2
Molecular Weight304.31 g/mol
Exact Mass304.10
IUPAC NameN-(2-pyridin-3-yl-3H-benzimidazol-5-yl)furan-2-carboxamide
SMILESO=C(Nc1ccc2nc(-c3cccnc3)[nH]c2c1)c1ccco1
InChIInChI=1S/C17H12N4O2/c22-17(15-4-2-8-23-15)19-12-5-6-13-14(9-12)21-16(20-13)11-3-1-7-18-10-11/h1-10H,(H,19,22)(H,20,21)
InChIKeyJDZNTGMSMHYYCY-UHFFFAOYSA-N
XLogP3.47
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(E/Z)-2-Cyano-3-(5-(1-cyclohexyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)furan-2-yl)-N,N-dimethylacrylamide
CID 122197584
(~{E})-3-[5-(3-cyclohexyl-3,5,8,10-tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),4,7,11-pentaen-4-yl)furan-2-yl]prop-2-enenitrile
CID 134611727
2-Cyano-3-[5-(3-Cyclohexyl-3,5,8,10-Tetrazatricyclo[7.3.0.0^{2,6}]dodeca-1,4,6,8,11-Pentaen-4-Yl)furan-2-Yl]-~{n},~{n}-Dimethyl-Prop-2-Enamide
CID 138108525
N-[3-(1-ethyl-1H-benzimidazol-2-yl)propyl]furan-2-carboxamide
CID 3164555
N-{[3-(Aminomethyl)furan-2-yl]methyl}-N-(1H-benzimidazol-2-ylmethyl)-5,6,7,8-tetrahydroquinolin-8-amine
CID 53325426
N-(furan-2-ylmethyl)-1-phenylbenzimidazol-5-amine
CID 828702
N-[3-(1H-benzimidazol-2-yl)phenyl]furan-2-carboxamide
CID 655022
N-[4-(1H-benzimidazol-2-yl)phenyl]furan-2-carboxamide
CID 763448
N-(2-phenyl-1H-benzimidazol-5-yl)furan-2-carboxamide
CID 1084669
N-[(1H-1,3-benzodiazol-2-yl)methyl]furan-2-carboxamide
CID 659559
N-[3-[[3-(1H-benzimidazol-2-yl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 2192323
(E)-3-(5-(1-cyclohexyl-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-2-yl)furan-2-yl)-N,N-dimethylacrylamide (3)
CID 122362931

Frequently Asked Questions

What is the IUPAC name of N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)furan-2-carboxamide?
The IUPAC name of N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)furan-2-carboxamide (CID 1084671) is N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)furan-2-carboxamide.
What is the SMILES notation for N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)furan-2-carboxamide?
The canonical SMILES for N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)furan-2-carboxamide is O=C(Nc1ccc2nc(-c3cccnc3)[nH]c2c1)c1ccco1.
What is the InChIKey of N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)furan-2-carboxamide?
The InChIKey is JDZNTGMSMHYYCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O2/c22-17(15-4-2-8-23-15)19-12-5-6-13-14(9-12)21-16(20-13)11-3-1-7-18-10-11/h1-10H,(H,19,22)(H,20,21).
What are the key properties of N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)furan-2-carboxamide?
N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)furan-2-carboxamide has a molecular weight of 304.31 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyridin-3-yl-3H-benzimidazol-5-yl)furan-2-carboxamide is sourced from PubChem (CID 1084671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).